Search results for "Temperature and pressure"
showing 10 items of 21 documents
Mössbauer effect study of the temperature and pressure dependence of the singlet-quintet intersystem crossing dynamics in an iron(II) spin crossover …
1988
The lineshapes of Mossbauer spectra of the iron(II) spin crossover complex [Fe(6-mepy)3 tren] (PF6)2 are affected by the dynamics of the HS⇌LS equilibrium. The lineshapes are reproduced with a stochastic two-state-relaxation-model yielding rate constants similar to those determined for related complexes in solution. Application of an external pressure of 150 MPa increases the relaxation rate.
Effects of pressure and temperature on the dielectric constant of GaS, GaSe, and InSe: Role of the electronic contribution
1999
In this work we report on direct measurements of the temperature and pressure dependences of the low-frequency dielectric constant along c axis $({\ensuremath{\varepsilon}}_{\ensuremath{\parallel}})$ of GaS, GaSe, and InSe. The temperature dependence of both the ordinary and extraordinary refractive indexes is also presented. A large increase of ${\ensuremath{\varepsilon}}_{\ensuremath{\parallel}}$ under pressure has been observed. In the framework of a rigid ion model, the lattice contribution to ${\ensuremath{\varepsilon}}_{\ensuremath{\parallel}}$ is shown to increase slightly under pressure, due to the change of the angle between the anion-cation bond and the layer plane. Consequently, …
Temperature and pressure dependence of the viscosities of perfluoropolyether fluids
1987
The viscosities of two structurally different perfluoropolyether fluids were determined at a series of temperatures and pressures, from 25 to 100°C and from 1 to 1000 bars. Flow activation energies and volumes as well as their temperature and pressure coefficients were derived. An attempt was made to relate measured and derived quantities to the compound structures.
Ab initio study on the mechanism of the HCO+O2→HO2+CO reaction
2003
Abstract The gas-phase reaction HCO+O 2 →CO+HO 2 has been investigated by means of ab initio calculations. The mechanism can proceed through either a direct hydrogen abstraction or addition of O 2 to the formyl radical. The energy barriers calculated at the QCISD(T)/6-311G(2df,2p) level of theory upon QCISD/6-311G(d,p) optimized structures are, respectively, of 2.98 kcal mol −1 for the direct abstraction and of 2.26 kcal mol −1 for the addition. Thus, the results obtained show that there is not a dominant pathway in the HCO+O 2 reaction under atmospheric conditions of temperature and pressure.
Coexistence of active Brownian disks: van der Waals theory and analytical results
2020
At thermal equilibrium, intensive quantities like temperature and pressure have to be uniform throughout the system, restricting inhomogeneous systems composed of different phases. The paradigmatic example is the coexistence of vapor and liquid, a state that can also be observed for active Brownian particles steadily driven away from equilibrium. Recently, a strategy has been proposed that allows to predict phase equilibria of active particles [Solon et al., Phys. Rev. E 97, 020602(R) (2018)2470-004510.1103/PhysRevE.97.020602]. Here we elaborate on this strategy and formulate it in the framework of a van der Waals theory for active disks. For a given equation of state, we derive the effecti…
Simplified Hybrid PD Model in Voids
2011
In this paper a novel approach to model partial discharges (PD) activity taking place inside a spherical void in epoxy resin system has been traced. The approach is based on a time varying conductance of the inner void, subjected to multistress conditions: voltage, temperature and pressure. A simple lumped circuit macro-model simulates the global effects of PD activity: the different parameters influencing the discharge phenomenon in the void are taking into account by using a physical approach resulting in a time varying conductance inside the circuit. The evaluated PD activity has been compared with experimental and simulated one for the accessible and inaccessible part of the system. A d…
Omega-3 Extraction from Anchovy Fillet Leftovers with Limonene: Chemical, Economic, and Technical Aspects
2019
International audience; We investigate selected chemical, technical, and economic aspects of the production of fish oil rich in polyunsaturated omega-3 fatty acids from anchovy filleting leftovers using d-limonene as the extraction solvent at ambient temperature and pressure. Entirely derived from the orange peel prior to orange squeezing for juice production, the bio-based solvent is easily recovered, affording a circular economy process with significant potential for practical applications.
1981
Refractive indices and refractive index increments of the system polystyrene/trans-decalin were measured under pressures up to 500 bar and at temperatures between 20 and 60°C. The measurements were performed with a new, recently designed interferometer. The results demonstrate a sufficient agreement of the refractive index values measured at different temperatures and pressures with the equations of Eykman and Gladstone-Dale whereas the Lorenz-Lorentz equation indicates larger deviations. The experimental data of the refractive index increment follow none of the refractive index mixture rules. It is therefore recommended to determine refractive index increments at different pressures experi…
Theoretical study of the OH addition to the β-pinene
2004
The initial step of the mechanism of the OH + β-pinene gas-phase reaction was investigated by means of ab initio calculations. Four different possibilities for the OH addition to the double bond are discussed, corresponding to the addition on each C atom of the double bond, and for each one, either the syn or anti OH attack to the two methyl groups on the (bi)cyclic molecule. Energy barriers calculated at the QCISD(T)/6-31G(d) level of theory on UMP2/6-31G(d) optimised structures, show that there are preferred orientations for the OH addition under atmospheric conditions of temperature and pressure.
Theoretical study of the OH addition to the endocyclic and exocyclic double bonds of the d-limonene
2005
Abstract The initial step of the d-limonene + OH gas-phase reaction mechanism was investigated by means of ab initio calculations. We have considered eight different possibilities for the OH addition, corresponding to the two C–C double bonds, the two C atoms of each double bond, and the syn or anti orientation, with respect to the isopropenyl group (endocyclic attack) or the ring cycle (exocyclic attack). Activation energies calculated at the QCISD(T)/6-31G(d)//UMP2/6-31G(d) level, show that there are preferred orientations for the OH addition under atmospheric conditions of temperature and pressure.